Cheng's Research Group

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Editor of:

Molecular Simulation

Journal of Experimental Nanoscience

  • Organization of Conferences

  • 6.Organizer of "The 7th Annual National Conference on Chemical Engineering and Biochemistry " conference (Beijing University of Chemical Technology, Tsinghua University, Institute of process engineering Chinese Academy of Sciences, Beijing, China July 28-30, 2023)
  • 5.Organizer of "the 8th International Conference on Theory of Atomic & Molecular Clusters(TAMC-VIII)" conference (Beijing University of Chemical Technology, Beijing, China September 17-22, 2017)
  • 4. Co-organizer of "International Workshop on Molecular Simulation" conference (Xi'an Jiaotong University, Xi'an, China April 15-17, 2016)
  • 3.Organizer of "Workshop on Frontiers of Molecular Simulation" conference (Beijing University of Chemical Technology, Beijing, China January 4-5, 2015)
  • 2.Organizer of "China-Europe International Workshop on Alloy Nanoparticles (CEIWN2013)" conference (Beijing University of Chemical Technology, Beijing, China   November 18-20, 2013)
  • 1. Co-organizer of "International Symposium on Chemical Process Intensification and Green Technology" conference (Beijing University of Chemical Technology,, Beijing, China September 10-13, 2013)

  • Participate in International Meetings

    • 51. (Invited Talk) Daojian Cheng, Design and preparation of atomically dispersed catalysts for electrolytic hydrogen production from water,Carbon Neutral Academic Salon - Young Scientists Talk about New Energy Science and Technology Applications,Beijing, China ，November 10，2023.
    50. (Invited Talk) Daojian Cheng, Preparation and application of atomically dispersed catalysts,2023 Industrial Catalytic Rare Precious Metals Reduction Technology Exchange and Promotion Meeting,Xian, China ，October 13，2023.
    49. (Invited Talk) Daojian Cheng, Development of Atomic Scale Dispersed Catalysts for Hydrogen Production from Electrolyzed Water,The 12th Symposium on Academic Exchange for Young Scholars in Chemical Engineering, Dalian, China ，October 14，2023.
    48. (Invited Talk) Daojian Cheng, Design and preparation of atomically dispersed catalysts,The 15th Global Chinese Chemical Scholars Symposium,Hong Kong, China ，August 05-09，2023 .
    47. (Invited Talk) Daojian Cheng, Theoretical design of catalysts for hydrogenation and oxidation of cracked ethylene fractions,Second Conference on Automated Intelligent Molecular Manufacturing,Qindao, China ，June 17-20，2023.
    46. (Invited Talk) Daojian Cheng, High-throughput design and preparation of catalysts for catalytic conversion of low-carbon hydrocarbons,The 33rd Annual Meeting of the Chinese Chemical Society,Hangzhou, China ，July 08-09，2023.
    45. (Invited Talk) Daojian Cheng, Isoprene selective hydrogenation using AgCu-promoted Pd catalysts，Nanoalloy：recent developments and future perspectives, Webinar (London, UK)，September 21-23，2022.
    44. (Invited Talk) Daojian Cheng, Design of heterogeneous catalysts based on structure descriptors, The 13th International Symposium on Computational Nanoscience and New Energy Materials, Neimenggu, China July 20-24, 2021.
    43. (Invited Talk) Daojian Cheng, Design and construction of electrocatalysts based on structural descriptors,Chinese Chemical Society 2021 International Symposium on Electrocatalysis and Electrosynthesis,Fuzhou,China April 9-11,2021.
    42. (Oral Presentation) Daojian Cheng, Application of Structure Descriptor for Rational Design of Transition Metal Catalysts, the 5th International Conference on Sustainable Chemical Product and Process Engineering (SCPPE), Tianjin, China June 30-July 3, 2019.
    41. (Invited Talk) Daojian Cheng, Application of Structure Descriptor for Rational Design of Transition Metal Catalysts, International Meeting on Nanoalloys 2019 #2, Genova, Italy June 4-7, 2019.
    40. (Seminar) Daojian Cheng, Application of Structure Descriptor for Rational Design of Transition Metal Catalysts, Soochow University – Caltech International Center of Multiscale nanoMaterials Genome, Suzhou, China May 8-9, 2019.
    39. (Invited Talk) Daojian Cheng, Application of Structure Descriptor for Rational Design of Transition Metal Catalysts, talk at Royal Society of Chemistry, Beijing, China September 19, 2018.
    38. (Oral Presentation) Daojian Cheng, High Throughput and Rational Design of Transition Metal Nanocatalyst, International Symposium on Small Particles & Inorganic Clusters, Hangzhou, China August 12-17, 2018.
    37. (Invited Talk) Daojian Cheng, Rational Design and Synthesis of Single-atom Electrocatalyst, 2018 Researcher Links Workshop on Sustainable Systems for CO2 Utilization in China and the UK, Beijing, China July 22-26, 2018.
    36. (Invited Talk) Daojian Cheng, Rational Design and Synthesis of Single-atom Electrocatalyst, 2nd International Symposium on Single-Atom Catalysis, Beijing, China June 15-18, 2018.
    35. (Invited Talk) Daojian Cheng, High Throughput and Rational Design of Transition Metal Nanocatalyst, The 9th International Conference on Molecular Simulations and Informatics Technology application (ICMS & I), Taiyuan, China May 17-19, 2018.
    34. The International Nanoalloy Meeting, Orleans, France May 23-25, 2018.
    33. The 14th National Computer Chemistry Conference of China & International Workshop on Molecular Simulations, Nanjing, China November 17-20, 2017.
    32. Global Chinese Chemical Engineers Symposium, Hangzhou, China July 18-21, 2017.
    31. (Invited Talk) Daojian Cheng and Haoxiang Xu, Design of High-Performance Pd-Based Alloy Nanocatalysts for Direct Synthesis of H2O2, Mesoscale Theory and Simulation for Interfacial Problems, Shanghai, China June 9-11, 2017.
    30. (Oral Presentation) Daojian Cheng, Nanoalloys as catalysts for fuel cell application: Multiscale simulation and experimental study, The 8th International Conference on Multiscale Materials Modeling(8thICMMM), Dijon, France October 9-14, 2016.
    29. (Hot Topics Talk) Daojian Cheng, Nanoalloys as catalysts for fuel cell application: A combined theoretical and experimental study, XVIII International Symposium on Small Particles and Inorganic Clusters (ISSPIC XVIII), Jyvaskyla, Finland, August 14-19, 2016.
    28. (POSTER Presentation) Daojian Cheng and Haoxiang Xu, Transition metal alloy surfaces and nanoalloys as catalysts for fuel cell application, The 16th International Conference on Catalysis(16thICC), Beijing, China July 3-8, 2016.
    27. (Oral Presentation) Daojian Cheng, Computational studies of Ag-Co nanoalloys from phase diagram and segregation to stability and ORR activity, Workshop on Molecular Simulation, Xian, China April 15-17, 2016.
    26. (Keynote Talk) Daojian Cheng and Wenchuan Wang, Transition metal alloy surfaces and nanoalloys as catalysts for fuel cell application, International Conference for Leading and Young Materials Scientists (IC-LYMS 2015), Sanya, China December 24-27, 2015.
    25. (Oral Presentation) Daojian Cheng, Transition metal alloy surfaces and nanoalloys as catalysts for fuel cell application, The Third International Conference on Advanced Complex Inorganic Nanomaterials, Namur, Belgium July 13-17, 2015.
    24. (Oral Presentation) Daojian Cheng, Synergistic catalysis of nanoalloys for the CO oxidation and oxygen reduction reaction, The 3rd Symposium of the Theoretical Chemistry Center, Beijing, China May 31-June 2, 2015.
    23. (Oral Presentation) Daojian Cheng, New development of computational design of new energy materials, The 8th International Conference on Computational Nanoscience and New Energy Materials, Beijing, China May 22-24, 2015.
    22. (Invited Talk) Daojian Cheng, Understanding and designing nanoalloys for clean energy applications by first principles calculations, The 17th International Symposium on Small Particles and Inorganic Clusters (ISSPIC XVII), fukuoka, Japan, September 7-12, 2014.
    21. (Invited Talk) Daojian Cheng, Understanding and designing new materials for clean energy applications by first principles calculations, 7th International Conference on Computational Nanoscience and New Energy Materials (CNNEM), Nanjing, China, June 19-23, 2014.
    20. (Invited Talk) Daojian Cheng, Understanding and designing new materials for clean energy applications by first principles calculations, 2nd International Conference on Clean Energy Science (ICCES), Qingdao, China, April 13-16, 2014.
    19. (Invited Talk) Daojian Cheng*, Wenchuan Wang and Riccardo Ferrando, Pt-based alloy surfaces and nanoalloys as catalysts for fuel cell application by first principles calculations, International Conference on Molecular and Atomic Cluster Theory, University of Birmingham, UK, September 15-20, 2013.
    18. (Invited Talk) Daojian Cheng*, Mingjiang Li, and Haoxiang Xu, Computational studies of “Crown-Jewel” structured Au-Pd nanoalloys: From thermal stability to ligand adsorption and CO catalytic oxidation, 12th International Congress on Materials Research, Cancún, México, August 11-16, 2013.
    17. (Invited Talk) Daojian Cheng, Dapeng Cao and Wenchuan Wang*, Hydrogen Storage in Porous Materials and Nanoalloys as Catalysts for Fuel Cell Application by Using Multiscale Simulation and Experimental Methods, ACS Chem Congress, USA, April 11-17, 2013.
    16. (POSTER Presentation) Daojian Cheng, Nanoalloy as advanced catalyst: From structure to thermal stability and fuel cell application, 2nd International Symposium on Intermetallic Compounds in Methanol Steam Reforming (ESF-LFUI), Obergurgl, Austria, July 16-21, 2012.
    15. (POSTER Presentation) Daojian Cheng* and Wenchuan Wang, Nanoalloy as advanced catalyst: From structure to thermal stability and fuel cell application, 16th International Symposium on Small Particles and Inorganic Clusters (ISSPIC XVI), Leuven, Belgium, July 8-13, 2012.
    14. (Invited Talk) Daojian Cheng, Nanoalloy as advanced catalyst: From structure to thermal stability and fuel cell application, Fifth International Conference on Computational Nanoscience and New Energy Materials (CNNEM), Yantai, China, June 16-21, 2012.
    13. (Oral presentation) Daojian Cheng and Wenchuan Wang, Nanoalloy as advanced catalyst: From structure to thermal stability and fuel cell application, Beijing-Hong Kong Symposium for Theoretical and Computational Chemistry, Beijing, China December 17-21, 2011.
    12. (Invited Talk) Daojian Cheng* and Wenchuan Wang, Nanoalloy as advanced catalyst: From structure to thermal stability and fuel cell application, The 6th Sino-US Joint Conference of Chemical Engineering, Beijing, China November 6-10, 2011.
    11. (Invited Talk) Daojian Cheng, Homogeneous Nucleation of Graphitic Nanostructures from Carbon Chains on Ni(111), Growth of Hierarchical Functional Materials in Complex Fluids, Beijing, China July 5-8, 2011.
    10. (Invited Talk) Daojian Cheng and Wenchuan Wang, Homogeneous Nucleation of Graphitic Nanostructures from Carbon Chains on Ni(111), Fourth International Conference on Computational Nanoscience and New Energy Materials, Chengdu, China June 30-July 4, 2011.
    9. (Oral Presentation) Daojian Cheng and Wenchuan Wang, Publications in Chemical Journals in China ― A Chinese Teachers’ View, Journal Publishing office of the Royal Society of Chemistry, Cambridge, UK April 20, 2011.
    8. (Poster Presentation) Daojian Cheng and Wenchuan Wang, Computational studies of metal cluster-filled carbon nanotubes relevant to fuel cell application, International Conference on Clean Energy Science, Dalian, China April 10-13, 2011.
    7. (Poster Presentation) Dapeng Cao, Jianhui Lan, Zhonghua Xiang, Xiaohong Shao, Daojian Cheng and Wenchuan Wang*, Simulating and experimental syntheses of nano-porous materials for hydrogen Storage, FD151: Hydrogen Storage Materials, Birmingham, UK April 18-20, 2011.
    6. (Poster Presentation) Daojian Cheng, Ivailo Atanasov and Marc Hou, Influence of the environment on equilibrium properties of Au-Pd clusters, CECAM conference on Nanoalloy, Lausanne, Switzerland September 13, 2010.
    5. (Oral Presentation) Daojian Cheng, Giovanni Barcaro, Alessandro Fortunelli, and Marc Hou, Properties of adsorbed carbon clusters on Ni surfaces determined by DFT, the 18th International Vacuum Congress (IVC-18), Beijing, China August 23-27, 2010.
    4. (Oral Presentation) Daojian Cheng, Parameterizing a carbon-nickel classical potential on the basis of the DFT data, HPC-Europa2 Transnational Access Meeting (TAM) 2010 MEETING, Helsinki, Finland June 15, 2010.
    3. (Poster Presentation) Daojian Cheng* and Marc Hou, Assessment of the carbon-nickel interaction for atomistic simulation of carbon nanofiber growth, TNT2009 conference, Barcelona, Spain September 7, 2009.
    2. (Poster Presentation) I Atanasov, Daojian Cheng, M. Hou, Atomic scale models of intermetallic catalysts at thermodynamic equilibrium, Belgian PhD training day on “Heterogeneous Catalysis and Nanostructures”, Brussels, Belgium January 20, 2009.
    1. (Invited Talk) Wenchuan Wang*, Suojiang Zhang, Daojian Cheng, Weixia Tu and Shiping Huang, Thermodynamics-a tool dealing with environmental challenges, the Eleventh International Conference on Properties and Phase Equilibria for Product and Process Design (PPEPPD), Hersonissos, Crete, Greece May 20-25, 2007.

  • Participate in National Meetings

    • 53.程道建（邀请报告）,基于“结构描述符”的跨尺度催化剂设计方法，2022年第六届过程工程青年学术会议，北京，2022年9月23日.
    52.程道建（邀请报告）,基于“结构描述符”的跨尺度催化剂设计方法，化学工程基础理论学术研讨会，北京，2022年8月25-27日.
    51.程道建（邀请报告）,基于结构描述符的绿色化工催化剂设计与应用，第⼗⼀届化学⼯程青年学者学术交流研讨会，长沙，2022年8月9-11日.
    50.程道建（邀请报告）,分子催化工程,第三期绿色大化工学科前沿讲座，线上会议（北京化工大学），2022年11月7日.
    49.程道建（邀请报告）,绿色化工催化剂的计算筛选，第36期“侯德榜公益大讲堂”，线上会议（中国化工学会），2022年11月4日.
    48.程道建（邀请报告）,如何进行科研选题,第四十八期“博学沙龙”学术讲座，线上会议（北京化工大学），2022年10月29日.
    47.程道建（口头报告），基于结构描述符的石油化工催化剂设计及应用，中国化学会第 32 届学术年会，2021 年 4 月 19 - 22 日.
    46.程道建（邀请报告）,基于结构描述符的绿色化工催化剂设计与应用，2021化工学科前沿青年学者论坛，南京，2021年12月26日.
    45.程道建（邀请报告）,基于结构描述符的单原子催化剂设计与制备，中国化学会第二十届全国催化学术会议，武汉，2021年10月15-20日.
    44.程道建（邀请报告）,基于结构描述符的石油化工催化剂设计及应用，2021中国化工学会年会，沈阳，2021年9月26日.
    43.程道建（邀请报告），基于“结构描述符”的催化剂设计方法，第一届理论与计算催化青年学者研讨会，合肥，2021 年 7 月 28 - 30 日.
    42.程道建（邀请报告），北京化工大学化学工程学院科研工作，高校科研工作交流对接会，大连，2021年6月19日.
    41.程道建（邀请报告）,基于结构描述符的电催化剂设计与应用，第六届全国能量转换与存储材料学术研讨会，西安，2021年4月23-25日.
    40.程道建（邀请报告）,基于结构描述符的多相催化剂设计，多相青年论坛新春特场，北京，2021年2月6日.
    39. 中国科学院学部“离子液体科学与工程”科学与技术前沿论坛，北京，2020年12月3日-4日.
    38. 程道建(邀请报告)，基于结构描述符的催化剂设计，原位催化研究交叉学科论坛，上海，2020年11月2日.
    37. 程道建(邀请报告)，基于结构描述符的催化剂设计方法及应用，中石化燕山石化报告，北京，2020年10月29日.
    36. 程道建(邀请报告)，北京化工大学化学工程学院科研成果介绍，高校科研工作交流对接会，杭州，2020年10月11日-13日.
    35. 中国化工学会稀土催化与过程专业委员会成立大会暨稀土催化材料高端应用学术研讨会，南京，2020年8月20日-21日.
    34. 程道建(邀请报告)，化工催化材料的智能计算筛选，第二届全国过程模拟与仿真学术会议，线上会议，2020年7月16日-17日.
    33. 程道建(邀请报告)，基于结构描述符的催化剂设计方法及应用，第九届化学工程青年学者学术交流研讨会，北京，2019年11月1日-4日.
    32. 程道建(邀请报告)，电催化剂的“结构描述符”设计方法及应用，第二十次全国电化学大会，长沙，2019年10月25日-28日.
    31. 程道建(邀请报告)，基于结构描述符的催化剂设计方法及应用，2019中国化工学会年会，青岛，2019年10月17日-20日.
    30. 程道建(邀请报告)，基于结构描述符的催化剂设计方法及应用，第十九届全国催化学术会议，重庆，2019年10月13日-17日.
    29. 程道建(大会报告)，北京化工大学科研进展及科研成果介绍，第三届石化联合会与重点高校科研工作交流对接会，天津，2019年9月24日-26日.
    28. 程道建(邀请报告)，Application of Structure Descriptor for Rational Design of Transition Metal Catalysts，2019年第四届青年纳米论坛，北京，2019年8月17日-19日.
    27. 程道建(邀请报告)，基于结构描述符的催化剂设计方法及应用，澳门大学报告，澳门，2019年5月30日-31日.
    26. 程道建(邀请报告)，基于结构描述符的催化剂设计方法及应用，第四届中国计算催化学术研讨会 (C3N-4)，西安、汉中，2019年4月18日-22日.
    25. 程道建(邀请报告)，Application of Structure Descriptor for Rational Design of Transition Metal Catalysts，北京化工大学软物质科学与工程高精尖创新中心2019年会，北京，2019年4月12日-13日.
    24. 程道建(邀请报告)，基于结构描述符的催化剂设计方法及应用，复旦大学报告，上海，2019年3月29日-30日.
    23. 程道建(邀请报告)，基于结构描述符的催化剂设计方法及应用，有机无机复合材料国家重点实验室报告，北京，2018年11月23日.
    22. 程道建(邀请报告)，基于结构描述符的催化剂设计方法及应用，中国石油天然气股份有限公司兰州化工研究中心报告，兰州，2018年12月21日.
    21. 程道建(大会报告)，金属纳米催化剂的理性设计及应用，第八届化学工程青年学者学术交流研讨会，重庆，2018年9月11日-14日.
    20. 程道建(邀请报告)，过渡金属纳米催化剂的高通量理性设计，2018 团簇科学与纳米技术青年科学论坛，南京，2018年8月10日-12日.
    19. 程道建(邀请报告)，High Throughput and Rational Design of Transition Metal Nanocatalyst，第八届全国物理无机化学学术会议，山西，2018年4月13日-16日.
    18. 程道建(邀请报告)，金属合金纳米簇的结构与其催化性能关系，2017年中国化工学会暨成立95周年纪念大会——“过程工业中的模拟方法与技术研讨会”，北京，2017年10月14日-15日.
    17. 程道建(邀请报告)，金属合金纳米簇的结构、催化性能及应用，第七届化学工程青年学者学术交流研讨会，上海，2017年9月11日-14日.
    16. 程道建(邀请报告)，金属合金纳米催化剂：从基础研究到指导工业应用，信阳师范大学邀请报告，信阳，2016年12月30-31日.
    15. 程道建(邀请口头报告)，金属合金团簇催化，南京大学团簇研讨会，南京，2017年1月14日.
    14. 程道建(口头报告)，金属合金纳米催化剂：从基础研究到指导工业应用，微米纳米制备及应用前沿技术高端论坛会议，北京，2016年11月25-27日.
    13. 程道建(邀请口头报告)，量化计算在能源化工催化中的应用，塔里木大学，新疆，2016年9月21-23日.
    12. 程道建(口头报告)，双金属纳米催化：理论和实验研究，中国化学会第30届学术年会，大连，2016年7月1日-4日.
    11. 程道建(口头报告)，双金属纳米催化：理论和实验研究，中国化学会第七届全国物理无机化学学术会议，北京，2016年5月6日-9日.
    10. 程道建(口头报告)，双金属纳米催化剂介尺度结构：理论和实验研究，2015中国化工学会年会，北京，2015年10月16日-18日.
    9. 程道建(口头报告)，双金属纳米催化：理论和实验研究，第十五届全国青年催化学术会议 (15th NYCC)，合肥，2015年7月19日-23日.
    8. 程道建(口头报告)，化工催化材料介尺度结构对性能的影响，介尺度问题建模、算法与模拟研讨会，上海，2015年5月29日-31日.
    7. 程道建(口头报告)，量化计算在能源化工催化中的应用，第十七届全国催化学术会议 (The 17th National Conference on Catalysis of China)，杭州，2014年10月13日-17日.
    6. 程道建(口头报告)，双金属纳米簇-结构和性能调控，磁性纳米材料前沿研讨会，北京，2014年9月19日.
    5. 程道建(邀请报告)，量化计算在能源化工催化中的应用，国科学院过程工程研究所青年创新促进会——青年沙龙第九期，北京，2014年5月7日.
    4. 程道建(邀请报告), 绿色化学催化新材料的基础研究, 中国化学会第 29届学术年会, 北京, 2014年8月4日到7日.
    3. 程道建(邀请报告), 量化计算在能源化工催化中的应用, 第四届化学工程青年科学家学术交流研讨, 2014年5月21日-23日.
    2. 程道建(邀请报告), 增强TiO2在可见光区光催化活性的第一性原理研究, 第六届计算纳米科学与新能源材料国际研讨会(Sixth International Conference on Computational Nanoscience and New Energy Materials (CNNEM-2013) ), 哈尔滨, 中国, 2013年6月19-23日.
    1. 程道建(邀请报告), 绿色化学与新型金属纳米簇催化剂—制备、 结构与热物性, 中国科协第143次青年科学家论坛—离子液体与绿色化学, 北京, 2007年9月20日-21日.

Email: [chengdj@mail.buct.edu.cn]